Re: [AMBER] restraints error

From: David Case <>
Date: Tue, 24 Sep 2019 12:03:45 +0000

On Tue, Sep 24, 2019, MYRIAN TORRES RICO wrote:
>The script is:
>srun pmemd.MPI -O -i ./tar/ -p ./leap/ -c
>./pcte/smp-191-ptn4rig_pcon.rst -r ./tar/smp-191-ptn4rig_tar.rst -o
>./tar/smp-191-ptn4rig_tar.out -inf ./tar/ -e
>./tar/smp-191-ptn4rig_tar.enr -x ./tar/smp-191-ptn4rig_tar.mdcrd -ref

Are you sure this should not be something like

> Warning: Error opening "Old" file from subroutine OPNMRG
> File = ./

For whatever reason, the program cannot find this file: you need to play
around to find out why. I notice that all your other files are in
subdirectories, hence my guess (it is only that) that the
file may be in some subdirectory as well.


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Received on Tue Sep 24 2019 - 05:30:02 PDT
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